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Efficient and accurate simulation of dynamic dielectric objects.
Barros, Kipton; Sinkovits, Daniel; Luijten, Erik.
Afiliação
  • Barros K; Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, USA.
  • Sinkovits D; Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, USA.
  • Luijten E; Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, USA.
J Chem Phys ; 140(6): 064903, 2014 Feb 14.
Article em En | MEDLINE | ID: mdl-24527936
Electrostatic interactions between dielectric objects are complex and of a many-body nature, owing to induced surface bound charge. We present a collection of techniques to simulate dynamical dielectric objects. We calculate the surface bound charge from a matrix equation using the Generalized Minimal Residue method (GMRES). Empirically, we find that GMRES converges very quickly. Indeed, our detailed analysis suggests that the relevant matrix has a very compact spectrum for all non-degenerate dielectric geometries. Each GMRES iteration can be evaluated using a fast Ewald solver with cost that scales linearly or near-linearly in the number of surface charge elements. We analyze several previously proposed methods for calculating the bound charge, and show that our approach compares favorably.
Assuntos

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Eletricidade Estática Idioma: En Ano de publicação: 2014 Tipo de documento: Article

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Eletricidade Estática Idioma: En Ano de publicação: 2014 Tipo de documento: Article